(2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide

C12H22N4O — CID 95125574

IUPAC(2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCCn1cc(CN(C)[C@@H](C)C(=O)N(C)C)cn1
InChIInChI=1S/C12H22N4O/c1-6-16-9-11(7-13-16)8-15(5)10(2)12(17)14(3)4/h7,9-10H,6,8H2,1-5H3/t10-/m0/s1
InChIKeyFLTTYZPBIXCSSP-JTQLQIEISA-N
MW238.33 g/mol
LogP0.81
Rot. Bonds5

About (2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide

(2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide (PubChem CID 95125574) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide
PubChem CID95125574
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCCn1cc(CN(C)[C@@H](C)C(=O)N(C)C)cn1
InChIInChI=1S/C12H22N4O/c1-6-16-9-11(7-13-16)8-15(5)10(2)12(17)14(3)4/h7,9-10H,6,8H2,1-5H3/t10-/m0/s1
InChIKeyFLTTYZPBIXCSSP-JTQLQIEISA-N
XLogP0.81
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide (CID 95125574) is (2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide is CCn1cc(CN(C)[C@@H](C)C(=O)N(C)C)cn1.
What is the InChIKey of (2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The InChIKey is FLTTYZPBIXCSSP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N4O/c1-6-16-9-11(7-13-16)8-15(5)10(2)12(17)14(3)4/h7,9-10H,6,8H2,1-5H3/t10-/m0/s1.
What are the key properties of (2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide?
(2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 95125574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).